Data Types
type	eiram_data
	Data for one reaction. More...

Functions/Subroutines
subroutine, public	eiram_load (filePath, fileName, err)
	Initialization of the module from input files (data sets) More...

subroutine, public	eiram_deallocate (err)
	Deallocate dynamic arrays used by this module. More...

integer function, public	eiram_get_id (fileName, reactionType, reactionIndex, err)
	Return the ID-index of the given reaction in the arrays of the module. More...

subroutine, public	eiram_get_order (N, M, Id, err)
	Return order of the polynomial for both variables. More...

subroutine, public	eiram_create_image (data, err)
	Create a copy (image) of the reactions array stored in the module. More...

real(eiram_dp) function, public	eiram_calc1_fast (Id, lnX)
	Calculate single polynomial fit: scalar version W/O CHECKS. More...

subroutine, public	eiram_calc1 (Y, Id, lnX, err)
	Calculate single polynomial fit. More...

subroutine, public	eiram_calc12 (B, Id, lnX, err)
	Reduce double polynomial fit to single polynomials for given values of the second variable. More...

subroutine, public	eiram_calc2 (Y, Id, LnX1, LnX2, err)
	Calculate double polynomial fit. More...

Variables
integer, parameter, public	eiram_dp = SELECTED_REAL_KIND(13)
	Kind parameter for real numbers. More...

integer, public	eiram_unit = 6
	Unit to which messages are written. More...

integer, parameter	units_length =32
	Length of the string with units. More...

integer, parameter	quantity_length =64
	Length of the string with description of a quantity. More...

integer, parameter	reaction_length =128
	Length of the string with the reaction equation. More...

integer, parameter	description_length =256
	Length of the string with description of the process. More...

integer, parameter, public	eiram_file_name_length = 32
	Length of the string with a name of an input file. More...

integer, parameter, public	eiram_type_length = 8
	Length of the string with reactiontype. More...

integer, parameter, public	eiram_index_length = 16
	Length of the string with reaction index. More...

integer, parameter	max_line_length = 256
	Maximum length of a line read from an file. More...

logical, parameter	debug = .false.

external, public	eiram_fit

integer, public	eiram_nreact =0
	current number of loaded reactions More...

type(eiram_data), dimension(:), allocatable	reactions
	Array of reactions. More...

Function/Subroutine Documentation

subroutine, public eiram::eiram_load	(	character(*), intent(in)	filePath,
		character(*), intent(in)	fileName,
		integer, intent(out)	err
	)

Initialization of the module from input files (data sets)

This subroutine reads data from the files HYDHEL, AMJUEL etc. The subroutine can be called more than once - in this case the data loaded on the previous calls are appended

Error code 310 is returned if requested input file is not found

Parameters

[in]	filepath	Full path to the input file (w/o its name)
[in]	filename	Name of the input file
[out]	err	Error code

number of read data sets

upper bound for number of data sets

Definition at line 206 of file eiram.f90.

References debug, eiram_nreact, eiram_unit, max_line_length, and reactions.

Referenced by eiram_load_wrapper(), eiram_test::eiram_test_calc12(), eiram_test::eiram_test_calculation(), eiram_test::eiram_test_image(), eiram_test::eiram_test_load(), eiram_test::eiram_test_unknown_reaction(), eiram_test::eiram_test_wrong_file(), eiram_test::eiram_test_wrong_ids(), eiram_test::eiram_test_wrong_size(), eiram_test::eiram_test_wrong_type(), initallfiles(), and mexfunction().

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subroutine, public eiram::eiram_deallocate ( integer, intent(out) err )

Deallocate dynamic arrays used by this module.

Parameters

[out] err Error code

Definition at line 585 of file eiram.f90.

References debug, eiram_nreact, eiram_unit, and reactions.

Referenced by eiram_cgi(), eiram_deallocate_wrapper(), eiram_test::eiram_test_calc12(), eiram_test::eiram_test_calculation(), eiram_test::eiram_test_image(), eiram_test::eiram_test_load(), eiram_test::eiram_test_unknown_reaction(), eiram_test::eiram_test_used_uninitialized(), eiram_test::eiram_test_wrong_file(), eiram_test::eiram_test_wrong_ids(), eiram_test::eiram_test_wrong_size(), eiram_test::eiram_test_wrong_type(), mexfunction(), and sendavailablereactions().

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integer function, public eiram::eiram_get_id	(	character(*), intent(in)	fileName,
		character(*), intent(in)	reactionType,
		character(*), intent(in)	reactionIndex,
		integer, intent(out)	err
	)

Return the ID-index of the given reaction in the arrays of the module.

This Id must be used then in eiram_calc

Parameters

[in]	filename	Name of the input file (dat set): HYDHEL, AMJUEl etc.
[in]	reactiontype	Type of the reaction: H.1, H.2 etc.
[in]	reactionindex	Index of the reaction: 2.1.5 etc.
[out]	err	Error code

Definition at line 857 of file eiram.f90.

References eiram_unit, and reactions.

Referenced by eiram_get_id_wrapper(), eiram_matlab_calc1(), eiram_matlab_calc2(), eiram_test::eiram_test_calc12(), eiram_test::eiram_test_calculation(), eiram_test::eiram_test_unknown_reaction(), eiram_test::eiram_test_used_uninitialized(), eiram_test::eiram_test_wrong_size(), and eiram_test::eiram_test_wrong_type().

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subroutine, public eiram::eiram_get_order	(	integer, intent(out)	N,
		integer, intent(out)	M,
		integer, intent(in)	Id,
		integer, intent(out)	err
	)

Return order of the polynomial for both variables.

Parameters

[out]	n	Order of polynomial for X1
[out]	m	Order of polynomial for X2
[in]	id	Index of the reaction (returned by eiram_getId)
[out]	err	Error code

Definition at line 895 of file eiram.f90.

References eiram_unit, and reactions.

Referenced by eiram_get_order_wrapper(), eiram_test::eiram_test_calc12(), and eiram_test::eiram_test_used_uninitialized().

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subroutine, public eiram::eiram_create_image	(	type(eiram_data), dimension(:), allocatable	data,
		integer, intent(out)	err
	)

Create a copy (image) of the reactions array stored in the module.

WARNING: array data which is already allocated will be overwritten. In case of error (err /= 0) not allocated array is returned

Parameters

	data	Resulting image of the module
[out]	err	Error code

Definition at line 931 of file eiram.f90.

References eiram_unit, and reactions.

Referenced by eiram_test::eiram_test_image(), eiram_test::eiram_test_used_uninitialized(), and sendavailablereactions().

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real(eiram_dp) function, public eiram::eiram_calc1_fast	(	integer, intent(in)	Id,
		real(eiram_dp), intent(in)	lnX
	)

Calculate single polynomial fit: scalar version W/O CHECKS.

This function is intended for calculation of cross-sections during a Monte-Carlo particle tracing

Parameters

[in]	id	ID of the reaction returned by eiram_getId
[in]	lnx	Natural logarithm of the argument

Definition at line 1042 of file eiram.f90.

References eiram_fit, and reactions.

Referenced by eiram_calc1_fast_wrapper().

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subroutine, public eiram::eiram_calc1	(	real(eiram_dp), dimension(:), intent(out)	Y,
		integer, intent(in)	Id,
		real(eiram_dp), dimension(:), intent(in)	lnX,
		integer, intent(out)	err
	)

Calculate single polynomial fit.

Opposite to eiram_calc1_fast this subroutine performs checks and returns an array. It is indended for plotting and data analysis rather than for execution during a Monte-Carlo particle tracing

Parameters

[out]	y	Array of the results: Y(k) for each LnX(k)
[in]	id	ID of the reaction returned by eiram_getId
[in]	lnx	Natural logarithm of the argument
[out]	err	Error code

Definition at line 1060 of file eiram.f90.

References eiram_fit, eiram_unit, and reactions.

Referenced by eiram_calc1_wrapper(), eiram_matlab_calc1(), eiram_test::eiram_test_calculation(), eiram_test::eiram_test_used_uninitialized(), eiram_test::eiram_test_wrong_ids(), eiram_test::eiram_test_wrong_size(), and eiram_test::eiram_test_wrong_type().

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subroutine, public eiram::eiram_calc12	(	real(eiram_dp), dimension(:,:), intent(out)	B,
		integer, intent(in)	Id,
		real(eiram_dp), dimension(:), intent(in)	lnX,
		integer, intent(out)	err
	)

Reduce double polynomial fit to single polynomials for given values of the second variable.

$b_i = \sum^m_{j=0} a_{ji}\log^j{X_2}$

Then:

$\log{Y} = \sum^n_{i=0} b_i\log^i{X_1}$

2nd dimension of B must be equal to the length of lnX, 1st dimension of B must be equal to the order of polynomial N plus 1. N is returned by eiram_get_order

This subroutine can be used e.g. in Monte-Carlo sampling for H.3 reactions. The background temperature is fixed and does not change. Coefficients B are calculated in advance for the temperatures in each cell. During the sampling the collision rate is calculated using the equation for $\log{Y}$ above: with $ X_1 $ = energy of the test particle. eiram_fit can be used for that purpose

Parameters

[out] b Coefficients of the reduced fit

1st index is $i$ =0..N, 2nd index is k: lnX(k)

Parameters

[in]	id	ID of the reaction returned by eiram_getId
[in]	lnx	Natural logarithm of the 2nd argument X2
[out]	err	Error code

Definition at line 1142 of file eiram.f90.

References eiram_fit, eiram_unit, and reactions.

Referenced by eiram_calc12_wrapper(), eiram_test::eiram_test_calc12(), eiram_test::eiram_test_used_uninitialized(), eiram_test::eiram_test_wrong_ids(), eiram_test::eiram_test_wrong_size(), and eiram_test::eiram_test_wrong_type().

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subroutine, public eiram::eiram_calc2	(	real(eiram_dp), dimension(:), intent(out)	Y,
		integer, intent(in)	Id,
		real(eiram_dp), dimension(:), intent(in)	LnX1,
		real(eiram_dp), dimension(:), intent(in)	LnX2,
		integer, intent(out)	err
	)

Calculate double polynomial fit.

Lengths of Y and LnX2 must be equal. Length of LnX1 must be either equal to the length of Y, or equal to 1. In this latter case all Y are calculated for the same value of LnX1

Parameters

[out]	y	Array of the results: Y(k) for each pair (LnX1(k),LnX2(k))
[in]	id	ID of the reaction returned by eiram_getId
[in]	lnx1	Natural logarithm of the 1st argument
[in]	lnx2	Natural logarithm of the 2nd argument
[out]	err	Error code

Definition at line 1219 of file eiram.f90.

References eiram_fit, eiram_unit, and reactions.

Referenced by eiram_calc2_wrapper(), eiram_matlab_calc2(), eiram_test::eiram_test_calc12(), eiram_test::eiram_test_calculation(), eiram_test::eiram_test_used_uninitialized(), eiram_test::eiram_test_wrong_ids(), eiram_test::eiram_test_wrong_size(), and eiram_test::eiram_test_wrong_type().

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Variable Documentation

integer, parameter, public eiram::eiram_dp = SELECTED_REAL_KIND(13)

Kind parameter for real numbers.

Definition at line 110 of file eiram.f90.

integer, public eiram::eiram_unit = 6

Unit to which messages are written.

Definition at line 112 of file eiram.f90.

Referenced by eiram_calc1(), eiram_calc12(), eiram_calc2(), eiram_cgi(), eiram_create_image(), eiram_deallocate(), eiram_get_id(), eiram_get_order(), eiram_load(), mexfunction(), and test().

integer, parameter eiram::units_length =32

Length of the string with units.

Definition at line 115 of file eiram.f90.

integer, parameter eiram::quantity_length =64

Length of the string with description of a quantity.

Definition at line 117 of file eiram.f90.

integer, parameter eiram::reaction_length =128

Length of the string with the reaction equation.

Definition at line 119 of file eiram.f90.

integer, parameter eiram::description_length =256

Length of the string with description of the process.

Definition at line 121 of file eiram.f90.

integer, parameter, public eiram::eiram_file_name_length = 32

Length of the string with a name of an input file.

Definition at line 123 of file eiram.f90.

Referenced by mexfunction().

integer, parameter, public eiram::eiram_type_length = 8

Length of the string with reactiontype.

Definition at line 125 of file eiram.f90.

Referenced by mexfunction().

integer, parameter, public eiram::eiram_index_length = 16

Length of the string with reaction index.

Definition at line 127 of file eiram.f90.

Referenced by mexfunction().

integer, parameter eiram::max_line_length = 256

Maximum length of a line read from an file.

Definition at line 129 of file eiram.f90.

Referenced by eiram_load().

logical, parameter eiram::debug = .false.

Definition at line 131 of file eiram.f90.

Referenced by eiram_deallocate(), and eiram_load().

real(eiram_dp), external, public eiram::eiram_fit

Definition at line 133 of file eiram.f90.

Referenced by eiram_calc1(), eiram_calc12(), eiram_calc1_fast(), eiram_calc2(), and eiram_test::eiram_test_calc12().

integer, public eiram::eiram_nreact =0

current number of loaded reactions

Definition at line 187 of file eiram.f90.

Referenced by eiram_deallocate(), eiram_load(), and eiram_test::eiram_test_load().

type(eiram_data), dimension(:), allocatable eiram::reactions

Array of reactions.

Definition at line 190 of file eiram.f90.

Referenced by eiram_calc1(), eiram_calc12(), eiram_calc1_fast(), eiram_calc2(), eiram_create_image(), eiram_deallocate(), eiram_get_id(), eiram_get_order(), and eiram_load().

Data Types

Functions/Subroutines

Variables

Function/Subroutine Documentation

Variable Documentation